Mechanism analysis of Taoren Honghua Decoction in the treatment of myocardial ischemia reperfusion injury based on network pharmacology and molecular docking
HONG Qiuyu1 WU Ya′nan1▲ ZHAO Haoxi1 WAN Xinliang2
1.College of Acupuncture and Massage,Guizhou University of Traditional Chinese Medicine,Guizhou Province,Guiyang 550002,China;
2.The Second Clinical Medicial College,Guizhou University of Traditional Chinese Medicine,Guizhou Province,Guiyang 550002,China
Abstract：Objective To analyze the mechanism of Taoren Honghua Decoction in the treatment of myocardial ischemia reperfusion injury based on network pharmacology and molecular docking.Methods The chemical components and targets of Taoren Hongghua Decoction and MIRI targets were collected by searching the database.Cytoscape 3.8.2 was used to make active components-target network diagram and protein interaction network diagram of Taoren Honghua Decoction.DAVID database was used to conduct gene ontology (GO) enrichment analysis and Kyoto encyclopedia of genes and genomes (KEGG) signaling pathway analysis on the related target.PyMol 2.5.2 and AutoDockTools 1.5.6 software were used for molecular docking of core components and core targets of Taoren Honghua decoction.Results Two hundred and one active ingredients,303 potential therapeutic target genes and 86 common targets for the treatment of MIRI were finally obtained.It was predicted that the main components of Taoren Honghua Decoction in the treatment of MIRI were quercetin,β-sitosterol,luteolin, etc. The key targets were protein kinase B (AKT1),interleukin-6(IL-6),tumor necrosis factor (TNF), etc. The results of KEGG analysis suggested that the key pathways may include TNF signaling pathway and hypoxia inducible factor-1 (HIF-1) signaling pathway, etc.Molecular docking results showed that core components and targets of Taoren Honghua Decoction might have good affinities.Conclusion This study speculated that Taoren Honghua Decoction may treat MIRI through multiple components,multiple targets and multiple pathways.
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HONG Qiuyu；WU Ya′nan；ZHAO Haoxi；WAN Xinliang. Mechanism analysis of Taoren Honghua Decoction in the treatment of myocardial ischemia reperfusion injury based on network pharmacology and molecular docking. 中国当代医药, 2022, 29(14): 14-17-31.
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